2-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-phenylethyl)imidazole-1-carboxamide

C20H23N5O — CID 175765380

IUPAC2-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-phenylethyl)imidazole-1-carboxamide
SMILESCN(C)Cc1cncc(-c2nccn2C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C20H23N5O/c1-24(2)15-17-12-18(14-21-13-17)19-22-10-11-25(19)20(26)23-9-8-16-6-4-3-5-7-16/h3-7,10-14H,8-9,15H2,1-2H3,(H,23,26)
InChIKeyKMVAINNUNATZJI-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.81
Rot. Bonds6

About 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-phenylethyl)imidazole-1-carboxamide

2-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-phenylethyl)imidazole-1-carboxamide (PubChem CID 175765380) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-phenylethyl)imidazole-1-carboxamide.

Molecular Properties

Compound Name2-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-phenylethyl)imidazole-1-carboxamide
PubChem CID175765380
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-phenylethyl)imidazole-1-carboxamide
SMILESCN(C)Cc1cncc(-c2nccn2C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C20H23N5O/c1-24(2)15-17-12-18(14-21-13-17)19-22-10-11-25(19)20(26)23-9-8-16-6-4-3-5-7-16/h3-7,10-14H,8-9,15H2,1-2H3,(H,23,26)
InChIKeyKMVAINNUNATZJI-UHFFFAOYSA-N
XLogP2.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide
CID 166510499
4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide
CID 167679804
4-[benzyl(methyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109211014
5-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109104046
5-methyl-N-(2-phenylethyl)imidazo[4,5-b]pyridine-1-carboxamide
CID 167680894
4-[(2-methylimidazol-1-yl)methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 71781142
4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 72867590
5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235813
(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 97202915
N-(2-phenylethyl)-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 129455017
4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide
CID 122564685
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-phenylethyl)imidazole-1-carboxamide?
The IUPAC name of 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-phenylethyl)imidazole-1-carboxamide (CID 175765380) is 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-phenylethyl)imidazole-1-carboxamide.
What is the SMILES notation for 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-phenylethyl)imidazole-1-carboxamide?
The canonical SMILES for 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-phenylethyl)imidazole-1-carboxamide is CN(C)Cc1cncc(-c2nccn2C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-phenylethyl)imidazole-1-carboxamide?
The InChIKey is KMVAINNUNATZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24(2)15-17-12-18(14-21-13-17)19-22-10-11-25(19)20(26)23-9-8-16-6-4-3-5-7-16/h3-7,10-14H,8-9,15H2,1-2H3,(H,23,26).
What are the key properties of 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-phenylethyl)imidazole-1-carboxamide?
2-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-phenylethyl)imidazole-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-phenylethyl)imidazole-1-carboxamide is sourced from PubChem (CID 175765380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).