(2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide

C20H24N4O — CID 97064350

IUPAC(2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)N(C)Cc1nc2ccccc2n1C
InChIInChI=1S/C20H24N4O/c1-15(20(25)21-13-16-9-5-4-6-10-16)23(2)14-19-22-17-11-7-8-12-18(17)24(19)3/h4-12,15H,13-14H2,1-3H3,(H,21,25)/t15-/m0/s1
InChIKeyLFZHABACLATPNX-HNNXBMFYSA-N
MW336.44 g/mol
LogP2.71
Rot. Bonds6

About (2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide

(2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide (PubChem CID 97064350) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide
PubChem CID97064350
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)N(C)Cc1nc2ccccc2n1C
InChIInChI=1S/C20H24N4O/c1-15(20(25)21-13-16-9-5-4-6-10-16)23(2)14-19-22-17-11-7-8-12-18(17)24(19)3/h4-12,15H,13-14H2,1-3H3,(H,21,25)/t15-/m0/s1
InChIKeyLFZHABACLATPNX-HNNXBMFYSA-N
XLogP2.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
1-benzyl-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine;hydroiodide
CID 110954297
(2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 95772431
2-[acetyl(methyl)amino]-N-benzylpropanamide
CID 10037012
1-benzyl-1,2-dimethyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine;hydroiodide
CID 110951605
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444
N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134012185
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060
N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide
CID 51073455
N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
CID 51178868
(2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide
CID 125138149

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide (CID 97064350) is (2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide is C[C@@H](C(=O)NCc1ccccc1)N(C)Cc1nc2ccccc2n1C.
What is the InChIKey of (2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide?
The InChIKey is LFZHABACLATPNX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15(20(25)21-13-16-9-5-4-6-10-16)23(2)14-19-22-17-11-7-8-12-18(17)24(19)3/h4-12,15H,13-14H2,1-3H3,(H,21,25)/t15-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide?
(2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide has a molecular weight of 336.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 97064350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).