N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide

C21H24N4O — CID 96575921

IUPACN,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)N(C)C[C@H]3CCN(c4ccccc4)C3)cc2[nH]1
InChIInChI=1S/C21H24N4O/c1-15-22-19-9-8-17(12-20(19)23-15)21(26)24(2)13-16-10-11-25(14-16)18-6-4-3-5-7-18/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyVMDBMYRTLURHDN-MRXNPFEDSA-N
MW348.45 g/mol
LogP3.47
Rot. Bonds4

About N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide

N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 96575921) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
PubChem CID96575921
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)N(C)C[C@H]3CCN(c4ccccc4)C3)cc2[nH]1
InChIInChI=1S/C21H24N4O/c1-15-22-19-9-8-17(12-20(19)23-15)21(26)24(2)13-16-10-11-25(14-16)18-6-4-3-5-7-18/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyVMDBMYRTLURHDN-MRXNPFEDSA-N
XLogP3.47
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide (CID 96575921) is N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)N(C)C[C@H]3CCN(c4ccccc4)C3)cc2[nH]1.
What is the InChIKey of N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is VMDBMYRTLURHDN-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-22-19-9-8-17(12-20(19)23-15)21(26)24(2)13-16-10-11-25(14-16)18-6-4-3-5-7-18/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,22,23)/t16-/m1/s1.
What are the key properties of N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide?
N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 96575921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).