N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide

C18H21N7O — CID 77092907

IUPACN-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
SMILESCc1nccn1CC1(CNC(=O)c2ccc(-c3nnn(C)n3)cc2)CC1
InChIInChI=1S/C18H21N7O/c1-13-19-9-10-25(13)12-18(7-8-18)11-20-17(26)15-5-3-14(4-6-15)16-21-23-24(2)22-16/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,20,26)
InChIKeyHYDIBCMSHCSMGI-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.59
Rot. Bonds6

About N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide

N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide (PubChem CID 77092907) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
PubChem CID77092907
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
SMILESCc1nccn1CC1(CNC(=O)c2ccc(-c3nnn(C)n3)cc2)CC1
InChIInChI=1S/C18H21N7O/c1-13-19-9-10-25(13)12-18(7-8-18)11-20-17(26)15-5-3-14(4-6-15)16-21-23-24(2)22-16/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,20,26)
InChIKeyHYDIBCMSHCSMGI-UHFFFAOYSA-N
XLogP1.59
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
CID 77086700
3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide
CID 72885985
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide
CID 74237954
N-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide
CID 135110526
2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid
CID 86207484
acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]benzamide
CID 154904996
cis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide
CID 131949598
1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide
CID 46989541
4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide
CID 122563164
2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide
CID 65498532
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide
CID 97207873
2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide
CID 72928509

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide (CID 77092907) is N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide is Cc1nccn1CC1(CNC(=O)c2ccc(-c3nnn(C)n3)cc2)CC1.
What is the InChIKey of N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is HYDIBCMSHCSMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-13-19-9-10-25(13)12-18(7-8-18)11-20-17(26)15-5-3-14(4-6-15)16-21-23-24(2)22-16/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,20,26).
What are the key properties of N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide?
N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 77092907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).