4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide

C19H25N7O — CID 120642758

IUPAC4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)CCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H25N7O/c1-26-19(24-18(25-26)13-9-11-20-12-10-13)23-17(27)8-4-7-16-21-14-5-2-3-6-15(14)22-16/h2-3,5-6,13,20H,4,7-12H2,1H3,(H,21,22)(H,23,24,25,27)
InChIKeyGSIVUBIWZLAPAV-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.12
Rot. Bonds6

About 4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide

4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide (PubChem CID 120642758) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide
PubChem CID120642758
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)CCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H25N7O/c1-26-19(24-18(25-26)13-9-11-20-12-10-13)23-17(27)8-4-7-16-21-14-5-2-3-6-15(14)22-16/h2-3,5-6,13,20H,4,7-12H2,1H3,(H,21,22)(H,23,24,25,27)
InChIKeyGSIVUBIWZLAPAV-UHFFFAOYSA-N
XLogP2.12
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide with MolForge

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Related Compounds

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-thiophen-2-ylbutanamide;hydrochloride
CID 120642605
2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120644506
3-(furan-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120644600
4-(2,4-dimethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
CID 120644318
4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide
CID 120643222
N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 120642100
4-(3-fluorophenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
CID 120645023
3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644136
2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120643521
3-(4-bromothiophen-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120643746
5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 120642784
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 120644292

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide (CID 120642758) is 4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide is Cn1nc(C2CCNCC2)nc1NC(=O)CCCc1nc2ccccc2[nH]1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide?
The InChIKey is GSIVUBIWZLAPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-26-19(24-18(25-26)13-9-11-20-12-10-13)23-17(27)8-4-7-16-21-14-5-2-3-6-15(14)22-16/h2-3,5-6,13,20H,4,7-12H2,1H3,(H,21,22)(H,23,24,25,27).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide?
4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide has a molecular weight of 367.46 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide is sourced from PubChem (CID 120642758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).