6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

C13H15ClN4O — CID 11961010

IUPAC6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
SMILESC[C@]1(c2nc3c(C(N)=O)cc(Cl)cc3[nH]2)CCCN1
InChIInChI=1S/C13H15ClN4O/c1-13(3-2-4-16-13)12-17-9-6-7(14)5-8(11(15)19)10(9)18-12/h5-6,16H,2-4H2,1H3,(H2,15,19)(H,17,18)/t13-/m1/s1
InChIKeyNNTKJJOBAUIRPI-CYBMUJFWSA-N
MW278.74 g/mol
LogP1.91
Rot. Bonds2

About 6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 11961010) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
PubChem CID11961010
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
SMILESC[C@]1(c2nc3c(C(N)=O)cc(Cl)cc3[nH]2)CCCN1
InChIInChI=1S/C13H15ClN4O/c1-13(3-2-4-16-13)12-17-9-6-7(14)5-8(11(15)19)10(9)18-12/h5-6,16H,2-4H2,1H3,(H2,15,19)(H,17,18)/t13-/m1/s1
InChIKeyNNTKJJOBAUIRPI-CYBMUJFWSA-N
XLogP1.91
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (CID 11961010) is 6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is C[C@]1(c2nc3c(C(N)=O)cc(Cl)cc3[nH]2)CCCN1.
What is the InChIKey of 6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is NNTKJJOBAUIRPI-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-13(3-2-4-16-13)12-17-9-6-7(14)5-8(11(15)19)10(9)18-12/h5-6,16H,2-4H2,1H3,(H2,15,19)(H,17,18)/t13-/m1/s1.
What are the key properties of 6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11961010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).