N-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide

C19H19N7O — CID 71829427

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
SMILESCC(C)n1nnc(-c2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2)n1
InChIInChI=1S/C19H19N7O/c1-12(2)26-24-18(23-25-26)13-7-9-14(10-8-13)19(27)20-11-17-21-15-5-3-4-6-16(15)22-17/h3-10,12H,11H2,1-2H3,(H,20,27)(H,21,22)
InChIKeyVFEAFCIGOXZHJZ-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.73
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide

N-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide (PubChem CID 71829427) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
PubChem CID71829427
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
SMILESCC(C)n1nnc(-c2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2)n1
InChIInChI=1S/C19H19N7O/c1-12(2)26-24-18(23-25-26)13-7-9-14(10-8-13)19(27)20-11-17-21-15-5-3-4-6-16(15)22-17/h3-10,12H,11H2,1-2H3,(H,20,27)(H,21,22)
InChIKeyVFEAFCIGOXZHJZ-UHFFFAOYSA-N
XLogP2.73
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide (CID 71829427) is N-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide is CC(C)n1nnc(-c2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2)n1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The InChIKey is VFEAFCIGOXZHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-12(2)26-24-18(23-25-26)13-7-9-14(10-8-13)19(27)20-11-17-21-15-5-3-4-6-16(15)22-17/h3-10,12H,11H2,1-2H3,(H,20,27)(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
N-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide has a molecular weight of 361.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide is sourced from PubChem (CID 71829427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).