N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine

C15H23N3 — CID 170866848

IUPACN,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
SMILESCCCn1c(CCCN(C)C)nc2ccccc21
InChIInChI=1S/C15H23N3/c1-4-11-18-14-9-6-5-8-13(14)16-15(18)10-7-12-17(2)3/h5-6,8-9H,4,7,10-12H2,1-3H3
InChIKeyDCUMJTHFZJXHPF-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.94
Rot. Bonds6

About N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine

N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine (PubChem CID 170866848) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
PubChem CID170866848
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
SMILESCCCn1c(CCCN(C)C)nc2ccccc21
InChIInChI=1S/C15H23N3/c1-4-11-18-14-9-6-5-8-13(14)16-15(18)10-7-12-17(2)3/h5-6,8-9H,4,7,10-12H2,1-3H3
InChIKeyDCUMJTHFZJXHPF-UHFFFAOYSA-N
XLogP2.94
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750802
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750199
N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 170866849
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol
CID 79757616
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
1-ethyl-2-pentylbenzimidazole
CID 3463966

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine (CID 170866848) is N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine is CCCn1c(CCCN(C)C)nc2ccccc21.
What is the InChIKey of N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is DCUMJTHFZJXHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-11-18-14-9-6-5-8-13(14)16-15(18)10-7-12-17(2)3/h5-6,8-9H,4,7,10-12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine?
N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 170866848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).