N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine

C20H25N3 — CID 134084344

IUPACN-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C20H25N3/c1-16(2)12-13-21-14-20-22-18-10-6-7-11-19(18)23(20)15-17-8-4-3-5-9-17/h3-11,16,21H,12-15H2,1-2H3
InChIKeyKBBQYITVXFLPRL-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.22
Rot. Bonds7

About N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine

N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine (PubChem CID 134084344) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine
PubChem CID134084344
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC NameN-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C20H25N3/c1-16(2)12-13-21-14-20-22-18-10-6-7-11-19(18)23(20)15-17-8-4-3-5-9-17/h3-11,16,21H,12-15H2,1-2H3
InChIKeyKBBQYITVXFLPRL-UHFFFAOYSA-N
XLogP4.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine
CID 134084343
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine
CID 54906185
N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methoxypropan-1-amine
CID 134084347
1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine
CID 2859099
1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine
CID 175232224
1-benzyl-2-propylbenzimidazole
CID 764560
1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
CID 23610017
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine
CID 134084304
tert-butyl N-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methylamino]butan-2-yl]-N-methylcarbamate
CID 57110006
3-(4-benzylpiperazin-1-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine
CID 112844244

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine?
The IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine (CID 134084344) is N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine is CC(C)CCNCc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine?
The InChIKey is KBBQYITVXFLPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-16(2)12-13-21-14-20-22-18-10-6-7-11-19(18)23(20)15-17-8-4-3-5-9-17/h3-11,16,21H,12-15H2,1-2H3.
What are the key properties of N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine?
N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine has a molecular weight of 307.44 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 134084344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).