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

C15H19ClN4O — CID 125177273

IUPACN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
SMILESO=C(C[C@H]1CCNC1)NCCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H19ClN4O/c16-11-1-2-12-13(8-11)20-14(19-12)4-6-18-15(21)7-10-3-5-17-9-10/h1-2,8,10,17H,3-7,9H2,(H,18,21)(H,19,20)/t10-/m1/s1
InChIKeyBRMXBRFEOBXBBI-SNVBAGLBSA-N
MW306.80 g/mol
LogP1.87
Rot. Bonds5

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

N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide (PubChem CID 125177273) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
PubChem CID125177273
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
SMILESO=C(C[C@H]1CCNC1)NCCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H19ClN4O/c16-11-1-2-12-13(8-11)20-14(19-12)4-6-18-15(21)7-10-3-5-17-9-10/h1-2,8,10,17H,3-7,9H2,(H,18,21)(H,19,20)/t10-/m1/s1
InChIKeyBRMXBRFEOBXBBI-SNVBAGLBSA-N
XLogP1.87
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide (CID 125177273) is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide is O=C(C[C@H]1CCNC1)NCCc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide?
The InChIKey is BRMXBRFEOBXBBI-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19ClN4O/c16-11-1-2-12-13(8-11)20-14(19-12)4-6-18-15(21)7-10-3-5-17-9-10/h1-2,8,10,17H,3-7,9H2,(H,18,21)(H,19,20)/t10-/m1/s1.
What are the key properties of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide?
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide has a molecular weight of 306.80 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 125177273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).