5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine

C14H19ClN4 — CID 61474789

IUPAC5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine
SMILESCC(CN1CCCC1)n1c(N)nc2cc(Cl)ccc21
InChIInChI=1S/C14H19ClN4/c1-10(9-18-6-2-3-7-18)19-13-5-4-11(15)8-12(13)17-14(19)16/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,16,17)
InChIKeyFCUJZTIVFNZHFM-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.93
Rot. Bonds3

About 5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine

5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine (PubChem CID 61474789) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine
PubChem CID61474789
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine
SMILESCC(CN1CCCC1)n1c(N)nc2cc(Cl)ccc21
InChIInChI=1S/C14H19ClN4/c1-10(9-18-6-2-3-7-18)19-13-5-4-11(15)8-12(13)17-14(19)16/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,16,17)
InChIKeyFCUJZTIVFNZHFM-UHFFFAOYSA-N
XLogP2.93
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine
CID 63546409
2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine
CID 62508563
5-chloro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazol-2-amine
CID 61474502
6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 115470557
6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 113316215
5-chloro-3-(1-pyrrolidin-1-ylpropan-2-yl)-1H-benzimidazole-2-thione
CID 115469962
5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine
CID 62993390
2-amino-3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carbonitrile
CID 104714905
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662
2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine
CID 62507078
5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole
CID 43666604
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 55105214

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine (CID 61474789) is 5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine is CC(CN1CCCC1)n1c(N)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine?
The InChIKey is FCUJZTIVFNZHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-10(9-18-6-2-3-7-18)19-13-5-4-11(15)8-12(13)17-14(19)16/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,16,17).
What are the key properties of 5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine?
5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine has a molecular weight of 278.79 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 61474789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).