N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C14H19N5 — CID 110913889

IUPACN-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCc1nc2ccccc2n1CCNC1=NCCCN1
InChIInChI=1S/C14H19N5/c1-11-18-12-5-2-3-6-13(12)19(11)10-9-17-14-15-7-4-8-16-14/h2-3,5-6H,4,7-10H2,1H3,(H2,15,16,17)
InChIKeyGSUOEVTZKWBILD-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.28
Rot. Bonds3

About N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110913889) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110913889
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCc1nc2ccccc2n1CCNC1=NCCCN1
InChIInChI=1S/C14H19N5/c1-11-18-12-5-2-3-6-13(12)19(11)10-9-17-14-15-7-4-8-16-14/h2-3,5-6H,4,7-10H2,1H3,(H2,15,16,17)
InChIKeyGSUOEVTZKWBILD-UHFFFAOYSA-N
XLogP1.28
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 60697290
2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707187
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
CID 103813344
6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine
CID 47151419
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine
CID 28712904
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914818
N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane
CID 144946605
tert-butyl N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]carbamate
CID 40716757
N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915371
2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine
CID 79864476
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine
CID 62871960

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110913889) is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is Cc1nc2ccccc2n1CCNC1=NCCCN1.
What is the InChIKey of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is GSUOEVTZKWBILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11-18-12-5-2-3-6-13(12)19(11)10-9-17-14-15-7-4-8-16-14/h2-3,5-6H,4,7-10H2,1H3,(H2,15,16,17).
What are the key properties of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110913889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).