N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine

C15H23N3 — CID 79750802

IUPACN-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
SMILESCCCn1c(CCCCNC)nc2ccccc21
InChIInChI=1S/C15H23N3/c1-3-12-18-14-9-5-4-8-13(14)17-15(18)10-6-7-11-16-2/h4-5,8-9,16H,3,6-7,10-12H2,1-2H3
InChIKeyUCWIBZMSUGWMDU-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.99
Rot. Bonds7

About N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine

N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine (PubChem CID 79750802) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
PubChem CID79750802
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
SMILESCCCn1c(CCCCNC)nc2ccccc21
InChIInChI=1S/C15H23N3/c1-3-12-18-14-9-5-4-8-13(14)17-15(18)10-6-7-11-16-2/h4-5,8-9,16H,3,6-7,10-12H2,1-2H3
InChIKeyUCWIBZMSUGWMDU-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.99
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-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750199
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 170866848
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
N,N'-dimethyl-N'-[(1-propylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
CID 79753322
N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79751254
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
1-ethyl-2-pentylbenzimidazole
CID 3463966
4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991537

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine?
The IUPAC name of N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine (CID 79750802) is N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine?
The canonical SMILES for N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine is CCCn1c(CCCCNC)nc2ccccc21.
What is the InChIKey of N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine?
The InChIKey is UCWIBZMSUGWMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-12-18-14-9-5-4-8-13(14)17-15(18)10-6-7-11-16-2/h4-5,8-9,16H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine?
N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 79750802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).