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

C19H23N3 — CID 134084343

IUPACN-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine
SMILESCCCCNCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C19H23N3/c1-2-3-13-20-14-19-21-17-11-7-8-12-18(17)22(19)15-16-9-5-4-6-10-16/h4-12,20H,2-3,13-15H2,1H3
InChIKeyPTMZWFDOYFNDJJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.97
Rot. Bonds7

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

N-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine (PubChem CID 134084343) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine
PubChem CID134084343
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC NameN-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine
SMILESCCCCNCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C19H23N3/c1-2-3-13-20-14-19-21-17-11-7-8-12-18(17)22(19)15-16-9-5-4-6-10-16/h4-12,20H,2-3,13-15H2,1H3
InChIKeyPTMZWFDOYFNDJJ-UHFFFAOYSA-N
XLogP3.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.97
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]-3-methoxypropan-1-amine
CID 134084347
N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine
CID 134084344
N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine
CID 134084304
3-(4-benzylpiperazin-1-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine
CID 112844244
1-benzyl-2-propylbenzimidazole
CID 764560
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
N-benzyl-4-(2-ethylbenzimidazol-1-yl)butan-1-amine
CID 134815891
1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine
CID 2859099
4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
1-Benzyl-2-heptadecyl-1H-benzimidazole,disulfo derivative,sodium salt
CID 90473584

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine?
The IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine (CID 134084343) is N-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine?
The canonical SMILES for N-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine is CCCCNCc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine?
The InChIKey is PTMZWFDOYFNDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-2-3-13-20-14-19-21-17-11-7-8-12-18(17)22(19)15-16-9-5-4-6-10-16/h4-12,20H,2-3,13-15H2,1H3.
What are the key properties of N-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine?
N-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.97, 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]butan-1-amine is sourced from PubChem (CID 134084343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).