N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide

C14H15ClN6O — CID 77078873

IUPACN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NCCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C14H15ClN6O/c15-10-1-2-11-12(7-10)20-13(19-11)3-5-17-14(22)4-6-21-9-16-8-18-21/h1-2,7-9H,3-6H2,(H,17,22)(H,19,20)
InChIKeySSSXYSNGAVRLJR-UHFFFAOYSA-N
MW318.77 g/mol
LogP1.56
Rot. Bonds6

About N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 77078873) has the molecular formula C14H15ClN6O and a molecular weight of 318.77 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID77078873
Molecular FormulaC14H15ClN6O
Molecular Weight318.77 g/mol
Exact Mass318.10
IUPAC NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NCCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C14H15ClN6O/c15-10-1-2-11-12(7-10)20-13(19-11)3-5-17-14(22)4-6-21-9-16-8-18-21/h1-2,7-9H,3-6H2,(H,17,22)(H,19,20)
InChIKeySSSXYSNGAVRLJR-UHFFFAOYSA-N
XLogP1.56
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 77089678
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
CID 72904285
(2R)-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125178751
(3S)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 51597494
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 125177273
4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide
CID 130474693
(E)-4-[3-(6-chloro-1H-benzimidazol-2-yl)propanoylamino]-N-methylbut-2-enamide
CID 122246979
(2S)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-4-methylsulfanylbutanamide
CID 125165861
4-chloro-2-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 28789404
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 77094237
N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24663704
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide
CID 43229181

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 77078873) is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)NCCc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is SSSXYSNGAVRLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O/c15-10-1-2-11-12(7-10)20-13(19-11)3-5-17-14(22)4-6-21-9-16-8-18-21/h1-2,7-9H,3-6H2,(H,17,22)(H,19,20).
What are the key properties of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 318.77 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 77078873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).