[1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-(imidazol-1-ylmethyl)-1H-imidazol-2-yl]methanone

C23H18ClN5O — CID 20730288

IUPAC[1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-(imidazol-1-ylmethyl)-1H-imidazol-2-yl]methanone
SMILESO=C(c1ncc(Cn2ccnc2)[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C23H18ClN5O/c24-17-7-5-16(6-8-17)12-29-14-20(19-3-1-2-4-21(19)29)22(30)23-26-11-18(27-23)13-28-10-9-25-15-28/h1-11,14-15H,12-13H2,(H,26,27)
InChIKeyWQMAKRCTTGQISG-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.54
Rot. Bonds6

About [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-(imidazol-1-ylmethyl)-1H-imidazol-2-yl]methanone

[1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-(imidazol-1-ylmethyl)-1H-imidazol-2-yl]methanone (PubChem CID 20730288) has the molecular formula C23H18ClN5O and a molecular weight of 415.88 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-(imidazol-1-ylmethyl)-1H-imidazol-2-yl]methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-(imidazol-1-ylmethyl)-1H-imidazol-2-yl]methanone
PubChem CID20730288
Molecular FormulaC23H18ClN5O
Molecular Weight415.88 g/mol
Exact Mass415.12
IUPAC Name[1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-(imidazol-1-ylmethyl)-1H-imidazol-2-yl]methanone
SMILESO=C(c1ncc(Cn2ccnc2)[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C23H18ClN5O/c24-17-7-5-16(6-8-17)12-29-14-20(19-3-1-2-4-21(19)29)22(30)23-26-11-18(27-23)13-28-10-9-25-15-28/h1-11,14-15H,12-13H2,(H,26,27)
InChIKeyWQMAKRCTTGQISG-UHFFFAOYSA-N
XLogP4.54
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-2-ylmethanone
CID 20730291
[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-morpholin-4-ylmethanone
CID 22022387
2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1H-imidazole-5-carboxamide
CID 20730297
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride
CID 10980477
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955150
1-benzyl-3-(imidazol-1-ylmethyl)indole
CID 10062599
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 5302284
1-[(4-chlorophenyl)methyl]-N-[(E)-(4-chlorophenyl)methylideneamino]indole-3-carboxamide
CID 156653432
[1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-[(E)-(phenylhydrazinylidene)methyl]-1H-imidazol-3-ium-2-yl]methanone
CID 142219624
2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 37423336
2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1-methylimidazole-4-carbaldehyde
CID 20730296
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-(imidazol-1-ylmethyl)-1H-imidazol-2-yl]methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-(imidazol-1-ylmethyl)-1H-imidazol-2-yl]methanone (CID 20730288) is [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-(imidazol-1-ylmethyl)-1H-imidazol-2-yl]methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-(imidazol-1-ylmethyl)-1H-imidazol-2-yl]methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-(imidazol-1-ylmethyl)-1H-imidazol-2-yl]methanone is O=C(c1ncc(Cn2ccnc2)[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-(imidazol-1-ylmethyl)-1H-imidazol-2-yl]methanone?
The InChIKey is WQMAKRCTTGQISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O/c24-17-7-5-16(6-8-17)12-29-14-20(19-3-1-2-4-21(19)29)22(30)23-26-11-18(27-23)13-28-10-9-25-15-28/h1-11,14-15H,12-13H2,(H,26,27).
What are the key properties of [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-(imidazol-1-ylmethyl)-1H-imidazol-2-yl]methanone?
[1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-(imidazol-1-ylmethyl)-1H-imidazol-2-yl]methanone has a molecular weight of 415.88 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-(imidazol-1-ylmethyl)-1H-imidazol-2-yl]methanone is sourced from PubChem (CID 20730288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).