N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C14H19N5 — CID 110918605

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1ccc2[nH]c(CCCNC3=NCCCN3)nc2c1
InChIInChI=1S/C14H19N5/c1-2-6-12-11(5-1)18-13(19-12)7-3-8-15-14-16-9-4-10-17-14/h1-2,5-6H,3-4,7-10H2,(H,18,19)(H2,15,16,17)
InChIKeyAGOXJSVHISMARL-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.43
Rot. Bonds4

About N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110918605) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110918605
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1ccc2[nH]c(CCCNC3=NCCCN3)nc2c1
InChIInChI=1S/C14H19N5/c1-2-6-12-11(5-1)18-13(19-12)7-3-8-15-14-16-9-4-10-17-14/h1-2,5-6H,3-4,7-10H2,(H,18,19)(H2,15,16,17)
InChIKeyAGOXJSVHISMARL-UHFFFAOYSA-N
XLogP1.43
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine
CID 134713026
N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine
CID 83961805
N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine
CID 133359322
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119139524
4-N-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 56915543
N'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide
CID 110914236
N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine
CID 114401174
N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine
CID 83961836
N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride
CID 159780973

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110918605) is N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine is c1ccc2[nH]c(CCCNC3=NCCCN3)nc2c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is AGOXJSVHISMARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-6-12-11(5-1)18-13(19-12)7-3-8-15-14-16-9-4-10-17-14/h1-2,5-6H,3-4,7-10H2,(H,18,19)(H2,15,16,17).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110918605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).