N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline

C26H29N5 — CID 7309525

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
SMILESCc1cccc(N2CCN(c3ccc(NCc4nc5ccccc5n4C)cc3)CC2)c1
InChIInChI=1S/C26H29N5/c1-20-6-5-7-23(18-20)31-16-14-30(15-17-31)22-12-10-21(11-13-22)27-19-26-28-24-8-3-4-9-25(24)29(26)2/h3-13,18,27H,14-17,19H2,1-2H3
InChIKeyWGUIPEZUXHHJHP-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.82
Rot. Bonds5

About N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline

N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline (PubChem CID 7309525) has the molecular formula C26H29N5 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
PubChem CID7309525
Molecular FormulaC26H29N5
Molecular Weight411.55 g/mol
Exact Mass411.24
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
SMILESCc1cccc(N2CCN(c3ccc(NCc4nc5ccccc5n4C)cc3)CC2)c1
InChIInChI=1S/C26H29N5/c1-20-6-5-7-23(18-20)31-16-14-30(15-17-31)22-12-10-21(11-13-22)27-19-26-28-24-8-3-4-9-25(24)29(26)2/h3-13,18,27H,14-17,19H2,1-2H3
InChIKeyWGUIPEZUXHHJHP-UHFFFAOYSA-N
XLogP4.82
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol
CID 60833755
1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol
CID 138043126
1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one
CID 75385583
N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
CID 112722053
4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide
CID 63757268
6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine
CID 103825773
2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
CID 107679286
3,5-dichloro-4-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107572808
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 974484
1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole
CID 59568251
N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline
CID 115472350
3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline
CID 60835526

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline (CID 7309525) is N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline is Cc1cccc(N2CCN(c3ccc(NCc4nc5ccccc5n4C)cc3)CC2)c1.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline?
The InChIKey is WGUIPEZUXHHJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5/c1-20-6-5-7-23(18-20)31-16-14-30(15-17-31)22-12-10-21(11-13-22)27-19-26-28-24-8-3-4-9-25(24)29(26)2/h3-13,18,27H,14-17,19H2,1-2H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline?
N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline has a molecular weight of 411.55 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline is sourced from PubChem (CID 7309525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).