2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide

C14H18ClN3O — CID 43667741

IUPAC2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(C(C)Cl)nc2ccccc21
InChIInChI=1S/C14H18ClN3O/c1-9(2)16-13(19)8-18-12-7-5-4-6-11(12)17-14(18)10(3)15/h4-7,9-10H,8H2,1-3H3,(H,16,19)
InChIKeyRFUJZPWZGYESFJ-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.86
Rot. Bonds4

About 2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide

2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 43667741) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID43667741
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(C(C)Cl)nc2ccccc21
InChIInChI=1S/C14H18ClN3O/c1-9(2)16-13(19)8-18-12-7-5-4-6-11(12)17-14(18)10(3)15/h4-7,9-10H,8H2,1-3H3,(H,16,19)
InChIKeyRFUJZPWZGYESFJ-UHFFFAOYSA-N
XLogP2.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
2-(2-phenylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17032674
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030116
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032527
N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028648
2-[2-[(1R)-1-acetamidoethyl]benzimidazol-1-yl]-N-cyclopentylacetamide
CID 39730168
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide
CID 17029875
2-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide
CID 24793357
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17031857
4-chloro-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029540

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide (CID 43667741) is 2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(C(C)Cl)nc2ccccc21.
What is the InChIKey of 2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is RFUJZPWZGYESFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-9(2)16-13(19)8-18-12-7-5-4-6-11(12)17-14(18)10(3)15/h4-7,9-10H,8H2,1-3H3,(H,16,19).
What are the key properties of 2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide?
2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 279.77 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 43667741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).