N-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide

C22H23ClN6O — CID 147390716

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)N1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C22H23ClN6O/c23-16-5-6-18-17(11-16)15(12-24-18)14-28-7-9-29(10-8-28)22(30)25-13-21-26-19-3-1-2-4-20(19)27-21/h1-6,11-12,24H,7-10,13-14H2,(H,25,30)(H,26,27)
InChIKeyDMUQTPIBQNODMC-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.72
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 147390716) has the molecular formula C22H23ClN6O and a molecular weight of 422.92 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide
PubChem CID147390716
Molecular FormulaC22H23ClN6O
Molecular Weight422.92 g/mol
Exact Mass422.16
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)N1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C22H23ClN6O/c23-16-5-6-18-17(11-16)15(12-24-18)14-28-7-9-29(10-8-28)22(30)25-13-21-26-19-3-1-2-4-20(19)27-21/h1-6,11-12,24H,7-10,13-14H2,(H,25,30)(H,26,27)
InChIKeyDMUQTPIBQNODMC-UHFFFAOYSA-N
XLogP3.72
TPSA80.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide
CID 147061813
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(3-hydroxypropyl)piperazine-1-carboxamide
CID 119068891
N-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 119064362
N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
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N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397486
1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone
CID 110411979
N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110616503
4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
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N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide
CID 66831985
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide
CID 112815362
N-(1H-benzimidazol-2-ylmethyl)-6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxamide
CID 73212074
4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide (CID 147390716) is N-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide is O=C(NCc1nc2ccccc2[nH]1)N1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is DMUQTPIBQNODMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O/c23-16-5-6-18-17(11-16)15(12-24-18)14-28-7-9-29(10-8-28)22(30)25-13-21-26-19-3-1-2-4-20(19)27-21/h1-6,11-12,24H,7-10,13-14H2,(H,25,30)(H,26,27).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 147390716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).