2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide

C12H14ClN5O2 — CID 77089678

IUPAC2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESNC(=O)NCC(=O)NCCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C12H14ClN5O2/c13-7-1-2-8-9(5-7)18-10(17-8)3-4-15-11(19)6-16-12(14)20/h1-2,5H,3-4,6H2,(H,15,19)(H,17,18)(H3,14,16,20)
InChIKeyHVIUJTIUURXFRY-UHFFFAOYSA-N
MW295.73 g/mol
LogP0.54
Rot. Bonds5

About 2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide

2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide (PubChem CID 77089678) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide
PubChem CID77089678
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESNC(=O)NCC(=O)NCCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C12H14ClN5O2/c13-7-1-2-8-9(5-7)18-10(17-8)3-4-15-11(19)6-16-12(14)20/h1-2,5H,3-4,6H2,(H,15,19)(H,17,18)(H3,14,16,20)
InChIKeyHVIUJTIUURXFRY-UHFFFAOYSA-N
XLogP0.54
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 77078873
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 125177273
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 77084249
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 77094237
4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide
CID 130474693
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
CID 72904285
1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 70768987
2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 53398953
(2S)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-4-methylsulfanylbutanamide
CID 125165861
(3S)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 51597494
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide (CID 77089678) is 2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide is NC(=O)NCC(=O)NCCc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide?
The InChIKey is HVIUJTIUURXFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c13-7-1-2-8-9(5-7)18-10(17-8)3-4-15-11(19)6-16-12(14)20/h1-2,5H,3-4,6H2,(H,15,19)(H,17,18)(H3,14,16,20).
What are the key properties of 2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide?
2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide has a molecular weight of 295.73 g/mol, XLogP of 0.54, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 77089678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).