2-chloro-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide

C16H20ClN3O — CID 146094947

IUPAC2-chloro-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide
SMILESCCc1nc2cc(CNC(=O)C(C)Cl)ccc2n1C1CC1
InChIInChI=1S/C16H20ClN3O/c1-3-15-19-13-8-11(9-18-16(21)10(2)17)4-7-14(13)20(15)12-5-6-12/h4,7-8,10,12H,3,5-6,9H2,1-2H3,(H,18,21)
InChIKeyMSYDCEARHGPPRL-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.18
Rot. Bonds5

About 2-chloro-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide

2-chloro-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide (PubChem CID 146094947) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-chloro-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide
PubChem CID146094947
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-chloro-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide
SMILESCCc1nc2cc(CNC(=O)C(C)Cl)ccc2n1C1CC1
InChIInChI=1S/C16H20ClN3O/c1-3-15-19-13-8-11(9-18-16(21)10(2)17)4-7-14(13)20(15)12-5-6-12/h4,7-8,10,12H,3,5-6,9H2,1-2H3,(H,18,21)
InChIKeyMSYDCEARHGPPRL-UHFFFAOYSA-N
XLogP3.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide?
The IUPAC name of 2-chloro-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide (CID 146094947) is 2-chloro-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-chloro-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide is CCc1nc2cc(CNC(=O)C(C)Cl)ccc2n1C1CC1.
What is the InChIKey of 2-chloro-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide?
The InChIKey is MSYDCEARHGPPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-15-19-13-8-11(9-18-16(21)10(2)17)4-7-14(13)20(15)12-5-6-12/h4,7-8,10,12H,3,5-6,9H2,1-2H3,(H,18,21).
What are the key properties of 2-chloro-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide?
2-chloro-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide has a molecular weight of 305.81 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide is sourced from PubChem (CID 146094947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).