2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one

C21H25N5O — CID 126935715

IUPAC2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1C1CCC(Nc3nc4ccccc4[nH]3)CC1)CCCC2
InChIInChI=1S/C21H25N5O/c27-20-13-14-5-1-2-6-17(14)25-26(20)16-11-9-15(10-12-16)22-21-23-18-7-3-4-8-19(18)24-21/h3-4,7-8,13,15-16H,1-2,5-6,9-12H2,(H2,22,23,24)
InChIKeyRDQDRQRPEGGDNZ-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.59
Rot. Bonds3

About 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126935715) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126935715
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1C1CCC(Nc3nc4ccccc4[nH]3)CC1)CCCC2
InChIInChI=1S/C21H25N5O/c27-20-13-14-5-1-2-6-17(14)25-26(20)16-11-9-15(10-12-16)22-21-23-18-7-3-4-8-19(18)24-21/h3-4,7-8,13,15-16H,1-2,5-6,9-12H2,(H2,22,23,24)
InChIKeyRDQDRQRPEGGDNZ-UHFFFAOYSA-N
XLogP3.59
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939505
2-[4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 137193687
2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935702
2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one
CID 126934355
4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
CID 138676689
2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935839
2-[4-[(1-methyl-6-oxopyridazin-3-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935562
2-[2-[2-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938056
2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935733
2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935752
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935391

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126935715) is 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1C1CCC(Nc3nc4ccccc4[nH]3)CC1)CCCC2.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is RDQDRQRPEGGDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c27-20-13-14-5-1-2-6-17(14)25-26(20)16-11-9-15(10-12-16)22-21-23-18-7-3-4-8-19(18)24-21/h3-4,7-8,13,15-16H,1-2,5-6,9-12H2,(H2,22,23,24).
What are the key properties of 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 363.47 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126935715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).