5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide

C26H29N7O — CID 11705169

IUPAC5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESCn1ccnc1CN1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCC3)c2)CC1
InChIInChI=1S/C26H29N7O/c1-32-13-10-28-24(32)17-33-11-8-18(9-12-33)20-6-7-23(22(14-20)19-4-2-3-5-19)31-26(34)25-29-16-21(15-27)30-25/h4,6-7,10,13-14,16,18H,2-3,5,8-9,11-12,17H2,1H3,(H,29,30)(H,31,34)
InChIKeyWQWMJNBXEBZCOT-UHFFFAOYSA-N
MW455.57 g/mol
LogP4.21
Rot. Bonds6

About 5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide (PubChem CID 11705169) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
PubChem CID11705169
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC Name5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESCn1ccnc1CN1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCC3)c2)CC1
InChIInChI=1S/C26H29N7O/c1-32-13-10-28-24(32)17-33-11-8-18(9-12-33)20-6-7-23(22(14-20)19-4-2-3-5-19)31-26(34)25-29-16-21(15-27)30-25/h4,6-7,10,13-14,16,18H,2-3,5,8-9,11-12,17H2,1H3,(H,29,30)(H,31,34)
InChIKeyWQWMJNBXEBZCOT-UHFFFAOYSA-N
XLogP4.21
TPSA102.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane
CID 143447681
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(3-morpholin-4-ylpropanoyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11692059
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 11634981
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(2-hydroxyethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11592380
5-cyano-N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide
CID 24785380
5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide
CID 140651560
N-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
CID 24759611
5-cyano-N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide
CID 24785129
3-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid
CID 24874798
5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 11997679
2-[2-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]acetyl]-1H-imidazole-5-carbonitrile
CID 160559955
N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-(methylamino)-1H-imidazole-2-carboxamide
CID 143568050

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide (CID 11705169) is 5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide is Cn1ccnc1CN1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCC3)c2)CC1.
What is the InChIKey of 5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is WQWMJNBXEBZCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-32-13-10-28-24(32)17-33-11-8-18(9-12-33)20-6-7-23(22(14-20)19-4-2-3-5-19)31-26(34)25-29-16-21(15-27)30-25/h4,6-7,10,13-14,16,18H,2-3,5,8-9,11-12,17H2,1H3,(H,29,30)(H,31,34).
What are the key properties of 5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 455.57 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 11705169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).