N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide

C15H19ClN4O — CID 125174045

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide
SMILESCN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)C[C@@H]1CCNC1
InChIInChI=1S/C15H19ClN4O/c1-20(15(21)6-10-4-5-17-8-10)9-14-18-12-3-2-11(16)7-13(12)19-14/h2-3,7,10,17H,4-6,8-9H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyFYEZQDFGGBGICF-JTQLQIEISA-N
MW306.80 g/mol
LogP2.17
Rot. Bonds4

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide (PubChem CID 125174045) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide
PubChem CID125174045
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide
SMILESCN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)C[C@@H]1CCNC1
InChIInChI=1S/C15H19ClN4O/c1-20(15(21)6-10-4-5-17-8-10)9-14-18-12-3-2-11(16)7-13(12)19-14/h2-3,7,10,17H,4-6,8-9H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyFYEZQDFGGBGICF-JTQLQIEISA-N
XLogP2.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide
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(1S,3R,4R)-3-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-N-methylcyclohexane-1-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide (CID 125174045) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide is CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)C[C@@H]1CCNC1.
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide?
The InChIKey is FYEZQDFGGBGICF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-20(15(21)6-10-4-5-17-8-10)9-14-18-12-3-2-11(16)7-13(12)19-14/h2-3,7,10,17H,4-6,8-9H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide has a molecular weight of 306.80 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 125174045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).