2-chloro-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]acetamide

C14H13ClN4O — CID 53357349

IUPAC2-chloro-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]acetamide
SMILESCn1cccc1-c1nc2ccc(NC(=O)CCl)cc2[nH]1
InChIInChI=1S/C14H13ClN4O/c1-19-6-2-3-12(19)14-17-10-5-4-9(7-11(10)18-14)16-13(20)8-15/h2-7H,8H2,1H3,(H,16,20)(H,17,18)
InChIKeyKWXVHHBODBTMPB-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.75
Rot. Bonds3

About 2-chloro-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]acetamide

2-chloro-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 53357349) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 2-chloro-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]acetamide
PubChem CID53357349
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name2-chloro-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]acetamide
SMILESCn1cccc1-c1nc2ccc(NC(=O)CCl)cc2[nH]1
InChIInChI=1S/C14H13ClN4O/c1-19-6-2-3-12(19)14-17-10-5-4-9(7-11(10)18-14)16-13(20)8-15/h2-7H,8H2,1H3,(H,16,20)(H,17,18)
InChIKeyKWXVHHBODBTMPB-UHFFFAOYSA-N
XLogP2.75
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1-methylpyrrol-2-yl)-3H-benzimidazole-5-carboxamide
CID 165422908
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide
CID 25066170
N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide
CID 127255298
2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide
CID 90832108
3-chloro-N-[4-[6-[2-[4-(3-chloropropanoylamino)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]propanamide
CID 11628600
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide
CID 25066171
N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide
CID 1136428
3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 43700582
N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-6-pyrrol-1-ylhexanamide
CID 127254570
N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide
CID 10413942
2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide
CID 56673048

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-chloro-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]acetamide (CID 53357349) is 2-chloro-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]acetamide is Cn1cccc1-c1nc2ccc(NC(=O)CCl)cc2[nH]1.
What is the InChIKey of 2-chloro-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is KWXVHHBODBTMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-19-6-2-3-12(19)14-17-10-5-4-9(7-11(10)18-14)16-13(20)8-15/h2-7H,8H2,1H3,(H,16,20)(H,17,18).
What are the key properties of 2-chloro-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]acetamide?
2-chloro-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 288.74 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 53357349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).