N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide

C16H21N7O — CID 131889490

IUPACN-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide
SMILESCc1ccc2nc(C(NC(=O)CCn3cnnn3)C(C)C)[nH]c2c1
InChIInChI=1S/C16H21N7O/c1-10(2)15(20-14(24)6-7-23-9-17-21-22-23)16-18-12-5-4-11(3)8-13(12)19-16/h4-5,8-10,15H,6-7H2,1-3H3,(H,18,19)(H,20,24)
InChIKeyYVXLVOAPMPYXHG-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.76
Rot. Bonds6

About N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide

N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 131889490) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide
PubChem CID131889490
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC NameN-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide
SMILESCc1ccc2nc(C(NC(=O)CCn3cnnn3)C(C)C)[nH]c2c1
InChIInChI=1S/C16H21N7O/c1-10(2)15(20-14(24)6-7-23-9-17-21-22-23)16-18-12-5-4-11(3)8-13(12)19-16/h4-5,8-10,15H,6-7H2,1-3H3,(H,18,19)(H,20,24)
InChIKeyYVXLVOAPMPYXHG-UHFFFAOYSA-N
XLogP1.76
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid
CID 124755764
N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-pyrazin-2-ylpropanamide
CID 118782048
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide
CID 95201522
N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide
CID 99973307
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
2-ethyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyrimidine-5-carboxamide
CID 125164946
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide
CID 95192585
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-pyrazol-1-ylbutanamide
CID 71827916
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide
CID 124749354
1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide
CID 86284531

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide (CID 131889490) is N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide is Cc1ccc2nc(C(NC(=O)CCn3cnnn3)C(C)C)[nH]c2c1.
What is the InChIKey of N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is YVXLVOAPMPYXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-10(2)15(20-14(24)6-7-23-9-17-21-22-23)16-18-12-5-4-11(3)8-13(12)19-16/h4-5,8-10,15H,6-7H2,1-3H3,(H,18,19)(H,20,24).
What are the key properties of N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide?
N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 327.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 131889490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).