N,N-diethyl-2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]ethanamine

C26H30N4 — CID 91972354

IUPACN,N-diethyl-2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]ethanamine
SMILES[H]/N=c1\n(CCN(CC)CC)c2ccccc2n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H30N4/c1-3-28(4-2)18-19-29-24-12-8-9-13-25(24)30(26(29)27)20-21-14-16-23(17-15-21)22-10-6-5-7-11-22/h5-17,27H,3-4,18-20H2,1-2H3/b27-26+
InChIKeyAOUVXJBXWMVSGD-CYYJNZCTSA-N
MW398.55 g/mol
LogP4.98
Rot. Bonds8

About N,N-diethyl-2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]ethanamine

N,N-diethyl-2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]ethanamine (PubChem CID 91972354) has the molecular formula C26H30N4 and a molecular weight of 398.55 g/mol. Its IUPAC name is N,N-diethyl-2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]ethanamine
PubChem CID91972354
Molecular FormulaC26H30N4
Molecular Weight398.55 g/mol
Exact Mass398.25
IUPAC NameN,N-diethyl-2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]ethanamine
SMILES[H]/N=c1\n(CCN(CC)CC)c2ccccc2n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H30N4/c1-3-28(4-2)18-19-29-24-12-8-9-13-25(24)30(26(29)27)20-21-14-16-23(17-15-21)22-10-6-5-7-11-22/h5-17,27H,3-4,18-20H2,1-2H3/b27-26+
InChIKeyAOUVXJBXWMVSGD-CYYJNZCTSA-N
XLogP4.98
TPSA36.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

GNF-Pf-4385
CID 759333
1-Ethyl-2,3-dimethyl-2-phenylbenzimidazole
CID 3124417
9-butyl-2-phenyl-2,9-dihydro-3H-imidazo[1,2-a]benzimidazole
CID 23723094
10-(3-Methylbenzyl)-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
CID 24761604
10-(2-Methylbenzyl)-2,3,4,10-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrimidine hydrochloride
CID 2881279
1,3-Bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide
CID 53376043
1,2,3-Trimethyl-2-phenyl-2,3-dihydro-1H-benzoimidazole
CID 799470
1,3-Dibenzylbenzimidazol-2-imine
CID 827991
2,3-Dihydro-1,3-dimethyl-2-phenyl-1H-benzimidazole
CID 199049
9-benzyl-2,9-dihydro-3H-imidazo[1,2-a]benzimidazole
CID 828006
1,2,3-Trimethyl-2-naphthalen-1-yl-2,3-dihydro-1H-benzoimidazole
CID 2256105
10-Benzyl-2,3,4,10-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrimidine hydrochloride
CID 2850990

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]ethanamine (CID 91972354) is N,N-diethyl-2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]ethanamine is [H]/N=c1\n(CCN(CC)CC)c2ccccc2n1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]ethanamine?
The InChIKey is AOUVXJBXWMVSGD-CYYJNZCTSA-N. The full InChI is InChI=1S/C26H30N4/c1-3-28(4-2)18-19-29-24-12-8-9-13-25(24)30(26(29)27)20-21-14-16-23(17-15-21)22-10-6-5-7-11-22/h5-17,27H,3-4,18-20H2,1-2H3/b27-26+.
What are the key properties of N,N-diethyl-2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]ethanamine?
N,N-diethyl-2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]ethanamine has a molecular weight of 398.55 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]ethanamine is sourced from PubChem (CID 91972354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).