1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide

C27H24N4O — CID 24625616

IUPAC1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide
SMILESCn1ccnc1C(NC(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C27H24N4O/c1-30-17-16-28-26(30)25(21-12-6-3-7-13-21)29-27(32)23-19-31(18-20-10-4-2-5-11-20)24-15-9-8-14-22(23)24/h2-17,19,25H,18H2,1H3,(H,29,32)
InChIKeyISRLDQDTTYHLNZ-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.94
Rot. Bonds6

About 1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide

1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide (PubChem CID 24625616) has the molecular formula C27H24N4O and a molecular weight of 420.52 g/mol. Its IUPAC name is 1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide
PubChem CID24625616
Molecular FormulaC27H24N4O
Molecular Weight420.52 g/mol
Exact Mass420.20
IUPAC Name1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide
SMILESCn1ccnc1C(NC(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C27H24N4O/c1-30-17-16-28-26(30)25(21-12-6-3-7-13-21)29-27(32)23-19-31(18-20-10-4-2-5-11-20)24-15-9-8-14-22(23)24/h2-17,19,25H,18H2,1H3,(H,29,32)
InChIKeyISRLDQDTTYHLNZ-UHFFFAOYSA-N
XLogP4.94
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide
CID 24660627
2-[(1-benzylindole-3-carbonyl)amino]propanediamide
CID 31404077
N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide
CID 90651379
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17406821
2-chloro-N-[(1S)-3-[[(R)-(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 25475792
2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25345660
2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25339816
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25350636
3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide
CID 42924153
N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide
CID 129375242
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide (CID 24625616) is 1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide is Cn1ccnc1C(NC(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1.
What is the InChIKey of 1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide?
The InChIKey is ISRLDQDTTYHLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O/c1-30-17-16-28-26(30)25(21-12-6-3-7-13-21)29-27(32)23-19-31(18-20-10-4-2-5-11-20)24-15-9-8-14-22(23)24/h2-17,19,25H,18H2,1H3,(H,29,32).
What are the key properties of 1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide?
1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide is sourced from PubChem (CID 24625616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).