N-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide

C15H15N7O2 — CID 112527438

IUPACN-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
SMILESO=C(Cn1cc(NC(=O)C2CC2)nn1)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H15N7O2/c23-14(18-10-3-4-11-12(5-10)17-8-16-11)7-22-6-13(20-21-22)19-15(24)9-1-2-9/h3-6,8-9H,1-2,7H2,(H,16,17)(H,18,23)(H,19,24)
InChIKeyKKMSCVQPBJNOJM-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.14
Rot. Bonds5

About N-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide

N-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide (PubChem CID 112527438) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
PubChem CID112527438
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC NameN-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
SMILESO=C(Cn1cc(NC(=O)C2CC2)nn1)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H15N7O2/c23-14(18-10-3-4-11-12(5-10)17-8-16-11)7-22-6-13(20-21-22)19-15(24)9-1-2-9/h3-6,8-9H,1-2,7H2,(H,16,17)(H,18,23)(H,19,24)
InChIKeyKKMSCVQPBJNOJM-UHFFFAOYSA-N
XLogP1.14
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112525950
N-[1-[2-(1H-indazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112527315
N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112525952
N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112525391
N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521085
N-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112526094
methyl N-[2-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527416
N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide
CID 115160286
N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
CID 115157714
2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 112525936
N-(3H-benzimidazol-5-yl)-3-chloropropanamide
CID 110460990
N-(3H-benzimidazol-5-yl)-2-piperidin-2-ylacetamide
CID 115160451

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide (CID 112527438) is N-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide is O=C(Cn1cc(NC(=O)C2CC2)nn1)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
The InChIKey is KKMSCVQPBJNOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c23-14(18-10-3-4-11-12(5-10)17-8-16-11)7-22-6-13(20-21-22)19-15(24)9-1-2-9/h3-6,8-9H,1-2,7H2,(H,16,17)(H,18,23)(H,19,24).
What are the key properties of N-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
N-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide has a molecular weight of 325.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 112527438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).