2-cyclopropyl-N-(1-cyclopropyltetrazol-5-yl)-3H-benzimidazole-5-carboxamide

C15H15N7O — CID 166434320

IUPAC2-cyclopropyl-N-(1-cyclopropyltetrazol-5-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1nnnn1C1CC1)c1ccc2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C15H15N7O/c23-14(18-15-19-20-21-22(15)10-4-5-10)9-3-6-11-12(7-9)17-13(16-11)8-1-2-8/h3,6-8,10H,1-2,4-5H2,(H,16,17)(H,18,19,21,23)
InChIKeyORXGKLSJOXGPRW-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.01
Rot. Bonds4

About 2-cyclopropyl-N-(1-cyclopropyltetrazol-5-yl)-3H-benzimidazole-5-carboxamide

2-cyclopropyl-N-(1-cyclopropyltetrazol-5-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 166434320) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1-cyclopropyltetrazol-5-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(1-cyclopropyltetrazol-5-yl)-3H-benzimidazole-5-carboxamide
PubChem CID166434320
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name2-cyclopropyl-N-(1-cyclopropyltetrazol-5-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1nnnn1C1CC1)c1ccc2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C15H15N7O/c23-14(18-15-19-20-21-22(15)10-4-5-10)9-3-6-11-12(7-9)17-13(16-11)8-1-2-8/h3,6-8,10H,1-2,4-5H2,(H,16,17)(H,18,19,21,23)
InChIKeyORXGKLSJOXGPRW-UHFFFAOYSA-N
XLogP2.01
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyclopropyltetrazol-5-yl)-3,4-dihydro-1H-isochromene-6-carboxamide
CID 154801074
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
N-(2-cyclobutyl-3H-benzimidazol-5-yl)furan-3-carboxamide
CID 52827537
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798
4-(2-cyclopropyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052773
2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone
CID 82052807
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
CID 82497253
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779436
1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one
CID 82052786
N-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 154834472
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 170948220
6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
CID 60613227

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1-cyclopropyltetrazol-5-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(1-cyclopropyltetrazol-5-yl)-3H-benzimidazole-5-carboxamide (CID 166434320) is 2-cyclopropyl-N-(1-cyclopropyltetrazol-5-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(1-cyclopropyltetrazol-5-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(1-cyclopropyltetrazol-5-yl)-3H-benzimidazole-5-carboxamide is O=C(Nc1nnnn1C1CC1)c1ccc2nc(C3CC3)[nH]c2c1.
What is the InChIKey of 2-cyclopropyl-N-(1-cyclopropyltetrazol-5-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is ORXGKLSJOXGPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O/c23-14(18-15-19-20-21-22(15)10-4-5-10)9-3-6-11-12(7-9)17-13(16-11)8-1-2-8/h3,6-8,10H,1-2,4-5H2,(H,16,17)(H,18,19,21,23).
What are the key properties of 2-cyclopropyl-N-(1-cyclopropyltetrazol-5-yl)-3H-benzimidazole-5-carboxamide?
2-cyclopropyl-N-(1-cyclopropyltetrazol-5-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1-cyclopropyltetrazol-5-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 166434320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).