N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine

C12H16N4 — CID 115118875

IUPACN-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine
SMILESc1nc2ccc(CNC3CCNC3)cc2[nH]1
InChIInChI=1S/C12H16N4/c1-2-11-12(16-8-15-11)5-9(1)6-14-10-3-4-13-7-10/h1-2,5,8,10,13-14H,3-4,6-7H2,(H,15,16)
InChIKeyPVIFIROVPKXFCQ-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.01
Rot. Bonds3

About N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine

N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine (PubChem CID 115118875) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine
PubChem CID115118875
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine
SMILESc1nc2ccc(CNC3CCNC3)cc2[nH]1
InChIInChI=1S/C12H16N4/c1-2-11-12(16-8-15-11)5-9(1)6-14-10-3-4-13-7-10/h1-2,5,8,10,13-14H,3-4,6-7H2,(H,15,16)
InChIKeyPVIFIROVPKXFCQ-UHFFFAOYSA-N
XLogP1.01
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-piperidin-3-ylethyl)-1H-benzimidazole
CID 116925639
N-[(4-aminophenyl)methyl]pyrrolidin-3-amine
CID 19853352
1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea
CID 110775446
2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine
CID 116868529
6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole
CID 116928065
(3H-benzimidazol-5-ylmethylamino)methanethiol
CID 115227972
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 89348963
4-[[[(3S)-pyrrolidin-3-yl]amino]methyl]benzonitrile
CID 86331368
N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine
CID 115226891
N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
CID 115118835
2-(3H-benzimidazol-5-ylmethylamino)ethanethiol
CID 115223998

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine (CID 115118875) is N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine is c1nc2ccc(CNC3CCNC3)cc2[nH]1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine?
The InChIKey is PVIFIROVPKXFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-11-12(16-8-15-11)5-9(1)6-14-10-3-4-13-7-10/h1-2,5,8,10,13-14H,3-4,6-7H2,(H,15,16).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine?
N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine has a molecular weight of 216.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 115118875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).